Geometry & MOs

Info

ID:	28768
PubChem CID:	829486
Reduced:	O2N3H11C17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	41.94
Dipole, Da:	1.87
IP(EA), eV:	-9.2(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2-fluorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CO3)C4=CC=CC=N4

DOS

IR

Vibrations